4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide

C12H16N4O2 — CID 47267011

IUPAC4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C12H16N4O2/c1-10(17)15-6-8-16(9-7-15)12(18)14-11-4-2-3-5-13-11/h2-5H,6-9H2,1H3,(H,13,14,18)
InChIKeyVJHPPMOHHQGEMH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.78
Rot. Bonds1

About 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide

4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 47267011) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID47267011
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C12H16N4O2/c1-10(17)15-6-8-16(9-7-15)12(18)14-11-4-2-3-5-13-11/h2-5H,6-9H2,1H3,(H,13,14,18)
InChIKeyVJHPPMOHHQGEMH-UHFFFAOYSA-N
XLogP0.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267301
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
N-pyridin-2-yl-3-(pyridin-2-ylamino)pyrrolidine-1-carboxamide
CID 166407641
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341
4-[3-hydroxypropyl(methyl)amino]-N-pyridin-2-ylpiperidine-1-carboxamide
CID 71931015
6-(4-acetylpiperazin-1-yl)-N-pyridin-2-ylpyrazine-2-carboxamide
CID 123957243
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
2-oxo-N-pyridin-2-ylimidazolidine-1-carboxamide
CID 679208

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide (CID 47267011) is 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is VJHPPMOHHQGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-10(17)15-6-8-16(9-7-15)12(18)14-11-4-2-3-5-13-11/h2-5H,6-9H2,1H3,(H,13,14,18).
What are the key properties of 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide?
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 47267011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).